UCSF

ZINC48947306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 4.55 -53.12 3 3 1 40 267.368 5
Mid Mid (pH 6-8) 1.77 6.59 -123.16 4 3 2 41 268.376 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )